(E)-N-[2-[[2-[[(2S)-1-[[(2S)-1-[(2-Aminoacetyl)-(2-Aminobutanoyl)Amino]-4-Methyl-1-Oxopentan-2-Yl]-(1-Hydroxy-4-Methylpentan-2-Yl)Amino]-4-Methyl-1-Oxopentan-2-Yl]Amino]-2-Oxoethyl]Amino]-2-Oxoethyl]Dec-4-Enamide
[CAS# 140939-04-4]

Identification

• Name: (E)-N-[2-[[2-[[(2S)-1-[[(2S)-1-[(2-Aminoacetyl)-(2-Aminobutanoyl)Amino]-4-Methyl-1-Oxopentan-2-Yl]-(1-Hydroxy-4-Methylpentan-2-Yl)Amino]-4-Methyl-1-Oxopentan-2-Yl]Amino]-2-Oxoethyl]Amino]-2-Oxoethyl]Dec-4-Enamide
• Synonyms: (E)-N-[2-[[2-[[(1S)-1-[[(1S)-1-[(2-Aminoacetyl)-(2-Aminobutanoyl)Carbamoyl]-3-Methyl-Butyl]-[1-(Hydroxymethyl)-3-Methyl-Butyl]Carbamoyl]-3-Methyl-Butyl]Amino]-2-Oxo-Ethyl]Amino]-2-Oxo-Ethyl]Dec-4-Enamide; (E)-N-[2-[[2-[[(1S)-1-[[[(1S)-1-[[(2-Amino-1-Oxobutyl)-(2-Amino-1-Oxoethyl)Amino]-Oxomethyl]-3-Methylbutyl]-[1-(Hydroxymethyl)-3-Methylbutyl]Amino]-Oxomethyl]-3-Methylbutyl]Amino]-2-Oxoethyl]Amino]-2-Oxoethyl]Dec-4-Enamide; (E)-N-[2-[[2-[[(1S)-1-[[(1S)-1-(2-Aminobutanoyl-Glycyl-Carbamoyl)-3-Methyl-Butyl]-(3-Methyl-1-Methylol-Butyl)Carbamoyl]-3-Methyl-Butyl]Amino]-2-Keto-Ethyl]Amino]-2-Keto-Ethyl]Dec-4-Enamide
• Molecular Formula: C₃₈H₆₉N₇O₈
• Molecular Weight: 752.01
• CAS Registry Number: 140939-04-4
• SMILES: [C@H](C(=O)N(C(CN)=O)C(C(CC)N)=O)(N(C(CC(C)C)CO)C([C@@H](NC(CNC(CNC(CC\C=C\CCCCC)=O)=O)=O)CC(C)C)=O)CC(C)C
• InChI: 1S/C38H69N7O8/c1-9-11-12-13-14-15-16-17-32(47)41-22-33(48)42-23-34(49)43-30(19-26(5)6)37(52)44(28(24-46)18-25(3)4)31(20-27(7)8)38(53)45(35(50)21-39)36(51)29(40)10-2/h14-15,25-31,46H,9-13,16-24,39-40H2,1-8H3,(H,41,47)(H,42,48)(H,43,49)/b15-14+/t28?,29?,30-,31-/m0/s1
• InChIKey: FZTHWZQMFXWWRP-UIWIRWKRSA-N

Properties

• Density: 1.11g/cm³ (Cal.)